#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	Tac WT Water ANMV Neo Ozone
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Lean males given water, ANMV, or Neomycin then exposed to ozone
PR:INSTITUTE        	Harvard School of Public Health
PR:DEPARTMENT       	Environmental Health
PR:LABORATORY       	Shore Lab
PR:LAST_NAME        	Shore
PR:FIRST_NAME       	Stephanie
PR:ADDRESS          	Boston, MA
PR:EMAIL            	sshore@hsph.harvard.edu
PR:PHONE            	617-432-0199
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Metabolomics of lean males given water, antibiotic cocktail (ANMV), or neomycin then exposed to ozone
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Mice were given either water, an antibiotic cocktail (ANMV), or Neomycin in their drinking water for two weeks to reduce bacterial load, and then exposed to air or to ozone (2ppm for 3hrs). 24 hours later, pulmonary mechanics and airway responsiveness was assessed, and blood was collected via cardiac puncture. Serum was isolated and immediately stored at -80 C for further analysis.
ST:INSTITUTE        	University of Michigan
ST:DEPARTMENT       	Biomedical Research Core Facilities
ST:LABORATORY       	Metabolomics core
ST:LAST_NAME        	Kachman
ST:FIRST_NAME       	Maureen
ST:ADDRESS          	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL            	mkachman@med.umich.edu
ST:PHONE            	(734) 232-8175
ST:SUBMIT_DATE      	09/22/2016 04:04:34 PM
ST:NUM_GROUPS       	7
ST:TOTAL_SUBJECTS   	21
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0016147	S00025616	Cohort:1 | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0016148	S00025617	Cohort:2 | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0016149	S00025618	Cohort:2 | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0016150	S00025619	Cohort:3 | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0016151	S00025620	Cohort:3 | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0016152	S00025621	Cohort:4 | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0016153	S00025622	Cohort:4 | Treatment:Water	
SUBJECT_SAMPLE_FACTORS            	SU0016154	S00025623	Cohort:1 | Treatment:ANMV	
SUBJECT_SAMPLE_FACTORS            	SU0016155	S00025624	Cohort:2 | Treatment:ANMV	
SUBJECT_SAMPLE_FACTORS            	SU0016156	S00025625	Cohort:2 | Treatment:ANMV	
SUBJECT_SAMPLE_FACTORS            	SU0016157	S00025626	Cohort:3 | Treatment:ANMV	
SUBJECT_SAMPLE_FACTORS            	SU0016158	S00025627	Cohort:3 | Treatment:ANMV	
SUBJECT_SAMPLE_FACTORS            	SU0016159	S00025628	Cohort:4 | Treatment:ANMV	
SUBJECT_SAMPLE_FACTORS            	SU0016160	S00025629	Cohort:4 | Treatment:ANMV	
SUBJECT_SAMPLE_FACTORS            	SU0016161	S00025630	Cohort:1 | Treatment:Neomycin	
SUBJECT_SAMPLE_FACTORS            	SU0016162	S00025631	Cohort:2 | Treatment:Neomycin	
SUBJECT_SAMPLE_FACTORS            	SU0016163	S00025632	Cohort:2 | Treatment:Neomycin	
SUBJECT_SAMPLE_FACTORS            	SU0016164	S00025633	Cohort:3 | Treatment:Neomycin	
SUBJECT_SAMPLE_FACTORS            	SU0016165	S00025634	Cohort:3 | Treatment:Neomycin	
SUBJECT_SAMPLE_FACTORS            	SU0016166	S00025635	Cohort:4 | Treatment:Neomycin	
SUBJECT_SAMPLE_FACTORS            	SU0016167	S00025636	Cohort:4 | Treatment:Neomycin	
#SUBJECT
SU:SUBJECT_TYPE                   	MOUSE
SU:SUBJECT_SPECIES                	Mus musculus
SU:TAXONOMY_ID                    	10090
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A007 - Short Chain Fatty Acids.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	
CH:INSTRUMENT_NAME                	GC_7890N MS_5975 (Agilent)
CH:COLUMN_NAME                    	 ()
CH:METHODS_FILENAME               	WAXPLUS_100-250C_3_SPLITLESS_SIM.M
#ANALYSIS
AN:ANALYSIS_TYPE                  	MS
AN:INSTRUMENT_NAME                	GC_7890N MS_5975 (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A007 - Short Chain Fatty Acids.pdf
AN:ACQUISITION_PARAMETERS_FILE    	WAXPLUS_100-250C_3_SPLITLESS_SIM.M
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	Q
MS:MS_TYPE                        	EI
MS:ION_MODE                       	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM
MS_METABOLITE_DATA_START
Sample	S00025616	S00025617	S00025618	S00025619	S00025620	S00025621	S00025622	S00025623	S00025624	S00025625	S00025626	S00025627	S00025628	S00025629	S00025630	S00025631	S00025632	S00025633	S00025634	S00025635	S00025636
Factors	Cohort:1 | Treatment:Water	Cohort:2 | Treatment:Water	Cohort:2 | Treatment:Water	Cohort:3 | Treatment:Water	Cohort:3 | Treatment:Water	Cohort:4 | Treatment:Water	Cohort:4 | Treatment:Water	Cohort:1 | Treatment:ANMV	Cohort:2 | Treatment:ANMV	Cohort:2 | Treatment:ANMV	Cohort:3 | Treatment:ANMV	Cohort:3 | Treatment:ANMV	Cohort:4 | Treatment:ANMV	Cohort:4 | Treatment:ANMV	Cohort:1 | Treatment:Neomycin	Cohort:2 | Treatment:Neomycin	Cohort:2 | Treatment:Neomycin	Cohort:3 | Treatment:Neomycin	Cohort:3 | Treatment:Neomycin	Cohort:4 | Treatment:Neomycin	Cohort:4 | Treatment:Neomycin
PROPIONIC ACID	34.19802493	52.26048065	59.20719669	65.16459605	34.51212051	24.35942717	86.92269788	21.30964864	44.20589705	30.9969229	50.88284257	48.06608596	81.56522625	80.89935132	66.22338806	44.97385829	53.10204465	137.9593996	102.6086708	36.03352616	68.01840334
ISOVALERIC ACID	1.549015397	1.522928788	1.056618051	.876536278	.684561692	.848699734	.61099104	.501369803	.760111812	.893235147	.794637619	.73162929	.997391837	.967067169	.428276584	.53947104	.67302522	1.081856208	.831021003	.492868918	.680015291
ACETIC ACID	2110.549115	2078.927762	1562.432904	2152.451466	1539.910783	1429.655909	2333.625739	801.6853318	1399.844114	1766.610735	1461.063531	2027.380497	1908.525318	2058.949472	1850.11486	1945.563355	1798.233536	1351.206933	2039.018323	1538.20407	1733.827257
BUTYRIC ACID	9.499711102	12.71661932	13.54224484	10.75327627	8.401511479	6.755326279	12.93920603	4.554853361	12.02883786	12.63006515	15.0135966	13.7280937	17.61114856	14.79065379	9.175146749	11.45496678	9.371044546	44.02573057	21.62897035	9.036313878	21.07306364
OCTANOIC ACID	2.270870247	1.396754597	.992289851	.851800276	.807488284	.934327182	.664898037	.207250023	.510593475	.948393898	.912896903	.543113417	.570304906	.92239027	.614321275	.588261026	.4299749	.320247408	.446668178	.374025645	.329602102
VALERIC ACID	3.625566373	3.524023159	1.786532225	2.209372756	1.815986397	1.716555071	1.745227738	1.021659412	2.253051366	2.033234374	2.756037007	2.552439914	4.058230322	3.978441996	1.584951195	1.752199858	1.88312685	5.053776535	3.861441754	2.14257403	3.166373626
HEPTANOIC ACID	1.971387206	1.437753639	1.000900784	.874639155	.784464169	.833573345	.758969046	.277760021	.654999139	1.136917303	1.128242387	.79155545	.890857381	.976907405	.843268242	.793870795	.605943507	.409752362	.470513815	.373383649	.393266826
HEXANOIC ACID	5.14048166	4.900603838	3.530064696	3.985807844	3.626432293	4.27314549	4.94748331	.916451144	4.133061664	7.321668479	7.298975871	5.350968836	4.758618206	5.367266932	2.487498711	4.354793239	2.578186272	2.367952929	4.09125656	2.189846357	2.351333776
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
PROPIONIC ACID				1032				
ISOVALERIC ACID				10430				
ACETIC ACID				176				
BUTYRIC ACID				264				
OCTANOIC ACID				379				
VALERIC ACID				7991				
HEPTANOIC ACID				8094				
HEXANOIC ACID				8892				
METABOLITES_END
